5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide

C18H16N4O2 — CID 58478036

IUPAC5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide
SMILESC=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)o3)cn2)cc1
InChIInChI=1S/C18H16N4O2/c1-11(19)12-2-4-13(5-3-12)15-7-6-14(10-21-15)16-8-9-17(24-16)18(20)22-23/h2-10,23H,1,19H2,(H2,20,22)
InChIKeyLUUMMRMUFLMBJU-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.03
Rot. Bonds4

About 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide

5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide (PubChem CID 58478036) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide.

Molecular Properties

Compound Name5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide
PubChem CID58478036
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide
SMILESC=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)o3)cn2)cc1
InChIInChI=1S/C18H16N4O2/c1-11(19)12-2-4-13(5-3-12)15-7-6-14(10-21-15)16-8-9-17(24-16)18(20)22-23/h2-10,23H,1,19H2,(H2,20,22)
InChIKeyLUUMMRMUFLMBJU-UHFFFAOYSA-N
XLogP3.03
TPSA110.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide?
The IUPAC name of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide (CID 58478036) is 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide.
What is the SMILES notation for 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide?
The canonical SMILES for 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide is C=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)o3)cn2)cc1.
What is the InChIKey of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide?
The InChIKey is LUUMMRMUFLMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11(19)12-2-4-13(5-3-12)15-7-6-14(10-21-15)16-8-9-17(24-16)18(20)22-23/h2-10,23H,1,19H2,(H2,20,22).
What are the key properties of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide?
5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide has a molecular weight of 320.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxyfuran-2-carboximidamide is sourced from PubChem (CID 58478036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).